2-(4-chloranylphenoxy)ethyl-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[2-[4-(4-hydroxyphenyl)piperazino]-2-keto-ethyl]-methyl-ammonium Formula: C21H27ClN3O3+ MolecularWeight: 404.91038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Cl)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Cl)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H26ClN3O3/c1-23(14-15-28-20-8-2-17(22)3-9-20)16-21(27)25-12-10-24(11-13-25)18-4-6-19(26)7-5-18/h2-9,26H,10-16H2,1H3/p+1